4-bromo-N,N-diethyl-2-fluorobenzamide

C11H13BrFNO — CID 24694026

IUPAC4-bromo-N,N-diethyl-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3
InChIKeyALFCPMWTMOYQSU-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.07
Rot. Bonds3

About 4-bromo-N,N-diethyl-2-fluorobenzamide

4-bromo-N,N-diethyl-2-fluorobenzamide (PubChem CID 24694026) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-bromo-N,N-diethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N,N-diethyl-2-fluorobenzamide
PubChem CID24694026
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-bromo-N,N-diethyl-2-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3
InChIKeyALFCPMWTMOYQSU-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethyl-2-fluorobenzamide?
The IUPAC name of 4-bromo-N,N-diethyl-2-fluorobenzamide (CID 24694026) is 4-bromo-N,N-diethyl-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N,N-diethyl-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N,N-diethyl-2-fluorobenzamide is CCN(CC)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N,N-diethyl-2-fluorobenzamide?
The InChIKey is ALFCPMWTMOYQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N,N-diethyl-2-fluorobenzamide?
4-bromo-N,N-diethyl-2-fluorobenzamide has a molecular weight of 274.13 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethyl-2-fluorobenzamide is sourced from PubChem (CID 24694026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).